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化学和生化试剂
砌块
卤代杂环
(R)-2-(5-溴-4-(4-氯苄基)-7-氟-1,2,3,4-四氢环戊烷[b]吲哚 -3-基)乙酸

(R)-2-(5-溴-4-(4-氯苄基)-7-氟-1,2,3,4-四氢环戊烷[b]吲哚 -3-基)乙酸

COA

CAS编号: 393509-05-2
分子式: C₂₀H₁₆BrClFNO₂
分子量: 436.7
PubChem编号: 11597294

有货

库存信息

关闭

货号 (SKU)	包装规格	是否现货	价格	数量
R487071-100mg	100mg	期货

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基本描述

英文别名	Aryl Halide Chemistry Informer Library Compound X7
英文名称	(R)-2-(5-Bromo-4-(4-chlorobenzyl)-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
产品介绍	Description This product is Informer compound X7 of theAryl Halide Chemistry Informer Librarydeveloped by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.

关联靶点（人）

PTGDR Tclin 前列腺素 D2 受体(Prostaglandin D2 receptor) (3 活性数据)

点击查看靶蛋白信息： PTGDR

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

TBXA2R Tclin 血栓素A2受体(Thromboxane A2 receptor) (2 活性数据)

点击查看靶蛋白信息： TBXA2R

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

PTGFR Tclin Prostanoid FP receptor (687 活性数据)

点击查看靶蛋白信息： PTGFR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGER2 Tclin Prostanoid EP2 receptor (1730 活性数据)

点击查看靶蛋白信息： PTGER2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGIR Tclin Prostanoid IP receptor (1280 活性数据)

点击查看靶蛋白信息： PTGIR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

TBXA2R Tclin Thromboxane A2 receptor (5717 活性数据)

点击查看靶蛋白信息： TBXA2R

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGER1 Tclin Prostanoid EP1 receptor (1696 活性数据)

点击查看靶蛋白信息： PTGER1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGER4 Tclin Prostanoid EP4 receptor (2181 活性数据)

点击查看靶蛋白信息： PTGER4

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGER3 Tclin Prostanoid EP3 receptor (1985 活性数据)

点击查看靶蛋白信息： PTGER3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGDR Tclin Prostanoid DP receptor (1356 活性数据)

点击查看靶蛋白信息： PTGDR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

分子类型	小分子
IIUPAC Name	2-[(3R)-5-bromo-4-[(4-chlorophenyl)methyl]-7-fluoro-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
INCHI	1S/C20H16BrClFNO2/c21-17-9-14(23)8-16-15-6-3-12(7-18(25)26)19(15)24(20(16)17)10-11-1-4-13(22)5-2-11/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,25,26)/t12-/m1/s1
InChi Key	XSQAICBCYIFUQS-GFCCVEGCSA-N
Smiles	C1CC2=C(C1CC(=O)O)N(C3=C2C=C(C=C3Br)F)CC4=CC=C(C=C4)Cl
Isomeric SMILES	C1CC2=C([C@H]1CC(=O)O)N(C3=C2C=C(C=C3Br)F)CC4=CC=C(C=C4)Cl
分子量	436.7
Reaxy-Rn	10119193
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10119193&ln=

化学和物理性质

闪点(℉)	Not applicable
闪点(℃)	Not applicable
熔点	106-112℃

安全和危险性（GHS）

RIDADR	NONH for all modes of transport

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

引用文献

1. Peter S Kutchukian, James F Dropinski, Kevin D Dykstra, Bing Li, Daniel A DiRocco, Eric C Streckfuss, Louis-Charles Campeau, Tim Cernak, Petr Vachal, Ian W Davies, Shane W Krska, Spencer D Dreher,. (2016-04-21) Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods.. Chemical science, 7 ((4)): ( 2604-2613 ). [PMID:28660032]